CID 11298947

397246-12-7

Structural Information

Molecular Formula
C10H21NO4
SMILES
CC(C)(C)OC(=O)N[C@H](CCCO)CO
InChI
InChI=1S/C10H21NO4/c1-10(2,3)15-9(14)11-8(7-13)5-4-6-12/h8,12-13H,4-7H2,1-3H3,(H,11,14)/t8-/m1/s1
InChIKey
UBNNKNSFDFANKW-MRVPVSSYSA-N
Compound name
tert-butyl N-[(2R)-1,5-dihydroxypentan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

219.14706 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.154336 153.4
[M+Na]+ 242.136278 157.5
[M-H]- 218.139784 150.4
[M+NH4]+ 237.180883 170.3
[M+K]+ 258.110218 157.2
[M+H-H2O]+ 202.144320 148.4
[M+HCOO]- 264.145261 171.5
[M+CH3COO]- 278.160911 186.1
[M+Na-2H]- 240.121726 155.8
[M]+ 219.14651142 154.5
[M]- 219.14760858 154.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe